A full-dimensional quantum dynamical study of vibrational relaxation in H2+H2

被引：45

作者：

Pogrebnya, SK ^{[1
]}

Clary, DC ^{[1
]}

机构：

[1] UCL, Dept Chem, London WC1H 0AJ, England

来源：

CHEMICAL PHYSICS LETTERS | 2002年 / 363卷 / 5-6期

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1016/S0009-2614(02)01237-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A full-dimensional quantum dynamical study of vibrational relaxation in H-2 + H-2 collisions using a recently developed potential energy surface of Boothroyd et al. is reported for both ortho- and para-H-2. A comparison of theoretical and experimental rate coefficients is made. The existence of a minimum in rate coefficients as a function of temperature is predicted. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

收藏

页码：523 / 528

页数：6

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